8-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-(2-phenoxyethyl)-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H26N6O3 MolecularWeight: 422.48024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O3/c1-3-10-27-20-18(21(29)28(11-4-2)22(27)30)24-19(25-20)16-14-23-26(15-16)12-13-31-17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25)